Vitas-M small molecule compound
1-[6-(2-chlorophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980176
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1ccccc1Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H19ClN4O2S MW 438.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2S/c1-3-13-30-22-24-20-19(25-26-22)15-10-6-8-12-17(15)27(18(28)4-2)21(29-20)14-9-5-7-11-16(14)23/h3,5-12,21H,1,4,13H2,2H3InChIKey
JXBQPARWZJTDRG-UHFFFAOYSA-NSynonyms
1(6(2chlorophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2CHLOROPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
ALLYL6(2CHLOROPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=CC=C4Cl
InChI=1SC22H19ClN4O2Sc13133022242019(252622)1510681217(15)27(18(28)42)21(2920)149571116(14)23h351221H1413H22H3
MFCD03784968
ZINC000002114349
ZINC000002114351
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